5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide

C26H19BrClN3O — CID 141368454

IUPAC5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C26H19BrClN3O/c27-18-7-12-23(28)22(16-18)26(32)30-19-8-10-20(11-9-19)31-15-3-14-29-25-21-5-2-1-4-17(21)6-13-24(25)31/h1-13,15-16,29H,14H2,(H,30,32)
InChIKeyFJVSNGHMSXCQDV-UHFFFAOYSA-N
MW504.82 g/mol
LogP7.59
Rot. Bonds3

About 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide (PubChem CID 141368454) has the molecular formula C26H19BrClN3O and a molecular weight of 504.82 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide
PubChem CID141368454
Molecular FormulaC26H19BrClN3O
Molecular Weight504.82 g/mol
Exact Mass503.04
IUPAC Name5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C26H19BrClN3O/c27-18-7-12-23(28)22(16-18)26(32)30-19-8-10-20(11-9-19)31-15-3-14-29-25-21-5-2-1-4-17(21)6-13-24(25)31/h1-13,15-16,29H,14H2,(H,30,32)
InChIKeyFJVSNGHMSXCQDV-UHFFFAOYSA-N
XLogP7.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.82
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide
CID 141368478
N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-hydroxy-6-methylbenzamide
CID 141368489
N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-ethyl-6-hydroxybenzamide
CID 141368509
N-[3-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-(2-iodophenyl)acetamide
CID 141368486
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
2,5-dichloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 3971845
5-bromo-2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834649

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide (CID 141368454) is 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide is O=C(Nc1ccc(N2C=CCNc3c2ccc2ccccc32)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide?
The InChIKey is FJVSNGHMSXCQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrClN3O/c27-18-7-12-23(28)22(16-18)26(32)30-19-8-10-20(11-9-19)31-15-3-14-29-25-21-5-2-1-4-17(21)6-13-24(25)31/h1-13,15-16,29H,14H2,(H,30,32).
What are the key properties of 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide has a molecular weight of 504.82 g/mol, XLogP of 7.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(1,2-dihydrobenzo[i][1,5]benzodiazepin-5-yl)phenyl]benzamide is sourced from PubChem (CID 141368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).